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@quantum-kite
quantum-kite / example1.py
Last active June 11, 2018 21:08
first example
""" Graphene DOS
Lattice : Graphene lattice;
Disorder : None;
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions,
double precision, automatic scaling;
Calculation : DOS;
Modification : magnetic field is off;
"""
import numpy as np
Get the script and the folder for setting up the system in the repository
""" Twisted bilayer graphene, loading a predefined lattice
Lattice : Twisted bilayer graphene;
Disorder : None;
Configuration : size of the system flexible, with domain decomposition, periodic boundary conditions,
double precision, automatic scaling;
Calculation : dos;
Modification : magnetic field is off;
"""
""" Optical conductivity of disordered graphene lattice
Lattice : Monolayer graphene;
Disorder : Disorder class Gaussian at different sublattices;
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions,
double precision, manual scaling;
Calculation : dos;
Modification : magnetic field is off;
"""
""" DOS and DC conductivity of the Haldane model
Lattice : Honeycomb lattice;
Disorder : Disorder class Uniform at different sublattices;
Configuration : size of the system 256x256, with domain decomposition (nx=ny=12), periodic boundary conditions,
double precision, automatic scaling;
Calculation : DOS and conductivity_dc;
Modification : magnetic field is off;
"""
""" Bond disorder
Lattice : Honeycomb 1[nm] interatomic distance and t=1[eV] hopping;
Disorder : StructuralDisorder class bond and vacancy disorder;
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions,
double precision, manual scaling;
Calculation : dos;
Modification : magnetic field is off;
"""
""" Phosphorene conductivity 'yy'
Lattice : Bilayer phosphorene;
Disorder : None;
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions,
double precision, automatic scaling;
Calculation : singleshot_conductivity_dc;
Modification : magnetic field is off;
"""
""" Phosphorene conductivity 'xx'
Lattice : Bilayer phosphorene;
Disorder : None;
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions,
double precision, automatic scaling;
Calculation : singleshot_conductivity_dc;
Modification : magnetic field is off;
"""
@quantum-kite
quantum-kite / graphene_lattice.py
Last active June 10, 2018 16:28
Graphene Lattice
"""Basic lattice specification for monolayer graphene with nearest neighbor"""
import matplotlib.pyplot as plt
import pybinding as pb
import math
a = 0.24595 # [nm] unit cell length
a_cc = 0.142 # [nm] carbon-carbon distance
@quantum-kite
quantum-kite / on_site_disorder.py
Last active June 10, 2018 15:06
example of adding on-site disorder
""" Onsite disorder
Lattice : Monolayer graphene;
Disorder : Disorder class Deterministic and Uniform at different sublattices,
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions,
double precision, manual scaling;
Calculation : dos;
Modification : magnetic field is off;
"""